| Phytochemical Name : Gelsemicine |
| PCNDIDG0040 |
| Pubchem CID : 5462428 |
| Molecular formula: C20H26N2O4 |
| Canonical SMILES : CCC1C2CC3C4(CC(C2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC |
Synonymes : GELSEMICINE|6887-28-1|CHEBI:5293|(1R,2S,4S,6R,7R,8S)-6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one|CHEMBL523430|C09203|DTXSID20420145|Q27106706 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.540 |
| Log Po/w (XLOGP3) : 1.890 |
| Log Po/w (WLOGP) : 1.250 |
| Log Po/w (MLOGP) : 2.020 |
| Log Po/w (SILICOS-IT) : 1.730 |
| Consensus Log Po/w : 2.080 |